(2S)-2-(4-chlorophenyl)-N-(2-fluoroethyl)-4-methyl-3-methylidenepentan-1-amine

C15H21ClFN — CID 87141524

IUPAC(2S)-2-(4-chlorophenyl)-N-(2-fluoroethyl)-4-methyl-3-methylidenepentan-1-amine
SMILESC=C(C(C)C)[C@H](CNCCF)c1ccc(Cl)cc1
InChIInChI=1S/C15H21ClFN/c1-11(2)12(3)15(10-18-9-8-17)13-4-6-14(16)7-5-13/h4-7,11,15,18H,3,8-10H2,1-2H3/t15-/m0/s1
InChIKeyRRRYMWDSFBXBMU-HNNXBMFYSA-N
MW269.79 g/mol
LogP4.19
Rot. Bonds7

About (2S)-2-(4-chlorophenyl)-N-(2-fluoroethyl)-4-methyl-3-methylidenepentan-1-amine

(2S)-2-(4-chlorophenyl)-N-(2-fluoroethyl)-4-methyl-3-methylidenepentan-1-amine (PubChem CID 87141524) has the molecular formula C15H21ClFN and a molecular weight of 269.79 g/mol. Its IUPAC name is (2S)-2-(4-chlorophenyl)-N-(2-fluoroethyl)-4-methyl-3-methylidenepentan-1-amine.

Molecular Properties

Compound Name(2S)-2-(4-chlorophenyl)-N-(2-fluoroethyl)-4-methyl-3-methylidenepentan-1-amine
PubChem CID87141524
Molecular FormulaC15H21ClFN
Molecular Weight269.79 g/mol
Exact Mass269.13
IUPAC Name(2S)-2-(4-chlorophenyl)-N-(2-fluoroethyl)-4-methyl-3-methylidenepentan-1-amine
SMILESC=C(C(C)C)[C@H](CNCCF)c1ccc(Cl)cc1
InChIInChI=1S/C15H21ClFN/c1-11(2)12(3)15(10-18-9-8-17)13-4-6-14(16)7-5-13/h4-7,11,15,18H,3,8-10H2,1-2H3/t15-/m0/s1
InChIKeyRRRYMWDSFBXBMU-HNNXBMFYSA-N
XLogP4.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.79
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-(4-chlorophenyl)-4-(2-fluoroethylamino)butan-2-one;ethane
CID 143607405
(2S)-2-(4-chlorophenyl)-3-(2-fluoroethylamino)propanamide
CID 87430250
2-(4-chlorophenyl)-4-methyl-3-methylidene-N-propan-2-ylpentan-1-amine
CID 58458215
2-(4-fluorophenyl)-4-methyl-3-methylidene-N-propan-2-ylpentan-1-amine
CID 58458351
(2S)-N-(cyclopropylmethyl)-2-(3-fluoro-4-methylphenyl)-4-methyl-3-methylidenepentan-1-amine
CID 121380474
3-(4-chlorophenyl)-4-(2-methoxyethylamino)butan-2-one;ethane
CID 143607230
1-[(2R)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]azetidin-3-amine
CID 66767419
(2S)-N-tert-butyl-4-methyl-3-methylidene-2-(4-methylphenyl)pentan-1-amine
CID 121380481
(2S)-2-(4-bromophenyl)-4-methyl-3-methylidene-N-propan-2-ylpentan-1-amine
CID 58458206
1-[(2R)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]piperidin-4-ol
CID 58458342
1-[(2S)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]piperidin-4-ol
CID 58458138
1-[4-[(2S)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]piperazin-1-yl]ethanone
CID 58458387

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-chlorophenyl)-N-(2-fluoroethyl)-4-methyl-3-methylidenepentan-1-amine?
The IUPAC name of (2S)-2-(4-chlorophenyl)-N-(2-fluoroethyl)-4-methyl-3-methylidenepentan-1-amine (CID 87141524) is (2S)-2-(4-chlorophenyl)-N-(2-fluoroethyl)-4-methyl-3-methylidenepentan-1-amine.
What is the SMILES notation for (2S)-2-(4-chlorophenyl)-N-(2-fluoroethyl)-4-methyl-3-methylidenepentan-1-amine?
The canonical SMILES for (2S)-2-(4-chlorophenyl)-N-(2-fluoroethyl)-4-methyl-3-methylidenepentan-1-amine is C=C(C(C)C)[C@H](CNCCF)c1ccc(Cl)cc1.
What is the InChIKey of (2S)-2-(4-chlorophenyl)-N-(2-fluoroethyl)-4-methyl-3-methylidenepentan-1-amine?
The InChIKey is RRRYMWDSFBXBMU-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H21ClFN/c1-11(2)12(3)15(10-18-9-8-17)13-4-6-14(16)7-5-13/h4-7,11,15,18H,3,8-10H2,1-2H3/t15-/m0/s1.
What are the key properties of (2S)-2-(4-chlorophenyl)-N-(2-fluoroethyl)-4-methyl-3-methylidenepentan-1-amine?
(2S)-2-(4-chlorophenyl)-N-(2-fluoroethyl)-4-methyl-3-methylidenepentan-1-amine has a molecular weight of 269.79 g/mol, XLogP of 4.19, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-chlorophenyl)-N-(2-fluoroethyl)-4-methyl-3-methylidenepentan-1-amine is sourced from PubChem (CID 87141524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).