N-[(2R)-1-(5-fluoro-1H-indol-3-yl)propan-2-yl]-2-methyl-3-methylidenepentan-1-amine

C18H25FN2 — CID 135277087

IUPACN-[(2R)-1-(5-fluoro-1H-indol-3-yl)propan-2-yl]-2-methyl-3-methylidenepentan-1-amine
SMILESC=C(CC)C(C)CN[C@H](C)Cc1c[nH]c2ccc(F)cc12
InChIInChI=1S/C18H25FN2/c1-5-12(2)13(3)10-20-14(4)8-15-11-21-18-7-6-16(19)9-17(15)18/h6-7,9,11,13-14,20-21H,2,5,8,10H2,1,3-4H3/t13?,14-/m1/s1
InChIKeyMOJVNHPFDOMRIS-ARLHGKGLSA-N
MW288.41 g/mol
LogP4.43
Rot. Bonds7

About N-[(2R)-1-(5-fluoro-1H-indol-3-yl)propan-2-yl]-2-methyl-3-methylidenepentan-1-amine

N-[(2R)-1-(5-fluoro-1H-indol-3-yl)propan-2-yl]-2-methyl-3-methylidenepentan-1-amine (PubChem CID 135277087) has the molecular formula C18H25FN2 and a molecular weight of 288.41 g/mol. Its IUPAC name is N-[(2R)-1-(5-fluoro-1H-indol-3-yl)propan-2-yl]-2-methyl-3-methylidenepentan-1-amine.

Molecular Properties

Compound NameN-[(2R)-1-(5-fluoro-1H-indol-3-yl)propan-2-yl]-2-methyl-3-methylidenepentan-1-amine
PubChem CID135277087
Molecular FormulaC18H25FN2
Molecular Weight288.41 g/mol
Exact Mass288.20
IUPAC NameN-[(2R)-1-(5-fluoro-1H-indol-3-yl)propan-2-yl]-2-methyl-3-methylidenepentan-1-amine
SMILESC=C(CC)C(C)CN[C@H](C)Cc1c[nH]c2ccc(F)cc12
InChIInChI=1S/C18H25FN2/c1-5-12(2)13(3)10-20-14(4)8-15-11-21-18-7-6-16(19)9-17(15)18/h6-7,9,11,13-14,20-21H,2,5,8,10H2,1,3-4H3/t13?,14-/m1/s1
InChIKeyMOJVNHPFDOMRIS-ARLHGKGLSA-N
XLogP4.43
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.41
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-[1-(5-fluoro-1H-indol-3-yl)propan-2-ylamino]-2-methylpropanoic acid
CID 135267291
1-(5-fluoro-1H-indol-3-yl)-N-methylpropan-2-amine
CID 117195576
CID 58748813
CID 58748813
[(2S)-1-(5-fluoro-1H-indol-3-yl)propan-2-yl]azanium
CID 6921756
N-[(5-fluoro-1H-indol-3-yl)methyl]propan-2-amine
CID 83776084
1-(5-fluoro-1H-indol-3-yl)butan-2-amine
CID 118713118
2-amino-N-[1-(5-fluoro-1H-indol-3-yl)propan-2-yl]-3,3-dimethylbutanamide
CID 166262078
(2R)-2-[[(2R)-1-(5-fluoro-1H-indol-3-yl)propan-2-yl]amino]-N-prop-2-ynylpropanamide
CID 171764202
N-[(2R)-1-(1H-indol-3-yl)propan-2-yl]-2-methylidenebutan-1-amine
CID 138643387
2-(5-fluoro-1H-indol-3-yl)-N-propan-2-ylacetamide
CID 110700223
(5-fluoro-1H-indol-3-yl)methanethiol
CID 117175254
methyl 3-[1-(1H-indol-3-yl)propan-2-ylamino]-2-methylpropanoate
CID 146188971

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-(5-fluoro-1H-indol-3-yl)propan-2-yl]-2-methyl-3-methylidenepentan-1-amine?
The IUPAC name of N-[(2R)-1-(5-fluoro-1H-indol-3-yl)propan-2-yl]-2-methyl-3-methylidenepentan-1-amine (CID 135277087) is N-[(2R)-1-(5-fluoro-1H-indol-3-yl)propan-2-yl]-2-methyl-3-methylidenepentan-1-amine.
What is the SMILES notation for N-[(2R)-1-(5-fluoro-1H-indol-3-yl)propan-2-yl]-2-methyl-3-methylidenepentan-1-amine?
The canonical SMILES for N-[(2R)-1-(5-fluoro-1H-indol-3-yl)propan-2-yl]-2-methyl-3-methylidenepentan-1-amine is C=C(CC)C(C)CN[C@H](C)Cc1c[nH]c2ccc(F)cc12.
What is the InChIKey of N-[(2R)-1-(5-fluoro-1H-indol-3-yl)propan-2-yl]-2-methyl-3-methylidenepentan-1-amine?
The InChIKey is MOJVNHPFDOMRIS-ARLHGKGLSA-N. The full InChI is InChI=1S/C18H25FN2/c1-5-12(2)13(3)10-20-14(4)8-15-11-21-18-7-6-16(19)9-17(15)18/h6-7,9,11,13-14,20-21H,2,5,8,10H2,1,3-4H3/t13?,14-/m1/s1.
What are the key properties of N-[(2R)-1-(5-fluoro-1H-indol-3-yl)propan-2-yl]-2-methyl-3-methylidenepentan-1-amine?
N-[(2R)-1-(5-fluoro-1H-indol-3-yl)propan-2-yl]-2-methyl-3-methylidenepentan-1-amine has a molecular weight of 288.41 g/mol, XLogP of 4.43, 7 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-(5-fluoro-1H-indol-3-yl)propan-2-yl]-2-methyl-3-methylidenepentan-1-amine is sourced from PubChem (CID 135277087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).