(Z)-N-tert-butyl-5-(3-chloro-2-fluorophenyl)-4-methylpent-3-en-1-amine

C16H23ClFN — CID 102864149

IUPAC(Z)-N-tert-butyl-5-(3-chloro-2-fluorophenyl)-4-methylpent-3-en-1-amine
SMILESC/C(=C/CCNC(C)(C)C)Cc1cccc(Cl)c1F
InChIInChI=1S/C16H23ClFN/c1-12(7-6-10-19-16(2,3)4)11-13-8-5-9-14(17)15(13)18/h5,7-9,19H,6,10-11H2,1-4H3/b12-7-
InChIKeyJFEKQWDRILMSET-GHXNOFRVSA-N
MW283.82 g/mol
LogP4.75
Rot. Bonds5

About (Z)-N-tert-butyl-5-(3-chloro-2-fluorophenyl)-4-methylpent-3-en-1-amine

(Z)-N-tert-butyl-5-(3-chloro-2-fluorophenyl)-4-methylpent-3-en-1-amine (PubChem CID 102864149) has the molecular formula C16H23ClFN and a molecular weight of 283.82 g/mol. Its IUPAC name is (Z)-N-tert-butyl-5-(3-chloro-2-fluorophenyl)-4-methylpent-3-en-1-amine.

Molecular Properties

Compound Name(Z)-N-tert-butyl-5-(3-chloro-2-fluorophenyl)-4-methylpent-3-en-1-amine
PubChem CID102864149
Molecular FormulaC16H23ClFN
Molecular Weight283.82 g/mol
Exact Mass283.15
IUPAC Name(Z)-N-tert-butyl-5-(3-chloro-2-fluorophenyl)-4-methylpent-3-en-1-amine
SMILESC/C(=C/CCNC(C)(C)C)Cc1cccc(Cl)c1F
InChIInChI=1S/C16H23ClFN/c1-12(7-6-10-19-16(2,3)4)11-13-8-5-9-14(17)15(13)18/h5,7-9,19H,6,10-11H2,1-4H3/b12-7-
InChIKeyJFEKQWDRILMSET-GHXNOFRVSA-N
XLogP4.75
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.82
LogP ≤ 54.75
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

(Z)-5-(2-chloro-3-fluorophenyl)-N-ethyl-4-methylpent-3-en-1-amine
CID 112654998
N-tert-butyl-4-(2,3-difluorophenyl)pent-3-en-1-amine
CID 79606963
N-tert-butyl-2-[(3-chloro-2-fluorophenyl)methyl]-2-methylbut-3-en-1-amine
CID 102859330
N-tert-butyl-5-(3,4-dimethylphenyl)-4-methylpent-3-en-1-amine
CID 79607714
N-tert-butyl-2-[(3-chloro-2-fluorophenyl)methyl]-2-methylpentan-1-amine
CID 102858809
N-tert-butyl-4-methyl-5-thiophen-3-ylpent-3-en-1-amine
CID 79607891
N-[[1-[(3-chloro-2-fluorophenyl)methyl]cyclopropyl]methyl]-2-methylpropan-2-amine
CID 102859004
1-chloro-3-[3-chloro-2-(chloromethyl)-2-methylpropyl]-2-fluorobenzene
CID 102863972
N-tert-butyl-4-(3-methylphenyl)pent-3-en-1-amine
CID 79607366
N-[[1-[(3-chloro-2-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-methylpropan-2-amine
CID 102856195
1-(3-chloro-2-fluorophenyl)-3-methyl-3-pyrrolidin-1-ylbutan-2-one
CID 102857236
N-[(2,3-dichlorophenyl)methyl]-2-methylpropan-2-amine;hydrochloride
CID 17293607

Frequently Asked Questions

What is the IUPAC name of (Z)-N-tert-butyl-5-(3-chloro-2-fluorophenyl)-4-methylpent-3-en-1-amine?
The IUPAC name of (Z)-N-tert-butyl-5-(3-chloro-2-fluorophenyl)-4-methylpent-3-en-1-amine (CID 102864149) is (Z)-N-tert-butyl-5-(3-chloro-2-fluorophenyl)-4-methylpent-3-en-1-amine.
What is the SMILES notation for (Z)-N-tert-butyl-5-(3-chloro-2-fluorophenyl)-4-methylpent-3-en-1-amine?
The canonical SMILES for (Z)-N-tert-butyl-5-(3-chloro-2-fluorophenyl)-4-methylpent-3-en-1-amine is C/C(=C/CCNC(C)(C)C)Cc1cccc(Cl)c1F.
What is the InChIKey of (Z)-N-tert-butyl-5-(3-chloro-2-fluorophenyl)-4-methylpent-3-en-1-amine?
The InChIKey is JFEKQWDRILMSET-GHXNOFRVSA-N. The full InChI is InChI=1S/C16H23ClFN/c1-12(7-6-10-19-16(2,3)4)11-13-8-5-9-14(17)15(13)18/h5,7-9,19H,6,10-11H2,1-4H3/b12-7-.
What are the key properties of (Z)-N-tert-butyl-5-(3-chloro-2-fluorophenyl)-4-methylpent-3-en-1-amine?
(Z)-N-tert-butyl-5-(3-chloro-2-fluorophenyl)-4-methylpent-3-en-1-amine has a molecular weight of 283.82 g/mol, XLogP of 4.75, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-tert-butyl-5-(3-chloro-2-fluorophenyl)-4-methylpent-3-en-1-amine is sourced from PubChem (CID 102864149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).