(3S)-7-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]spiro[3.5]nonan-3-amine

C18H24F3N — CID 156602633

IUPAC(3S)-7-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]spiro[3.5]nonan-3-amine
SMILESCC1CCC2(CC1)CC[C@@H]2NCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H24F3N/c1-13-5-8-17(9-6-13)10-7-16(17)22-12-14-3-2-4-15(11-14)18(19,20)21/h2-4,11,13,16,22H,5-10,12H2,1H3/t13?,16-,17?/m0/s1
InChIKeyCXRRPQKXECDVQQ-PWZRNIHTSA-N
MW311.39 g/mol
LogP5.15
Rot. Bonds3

About (3S)-7-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]spiro[3.5]nonan-3-amine

(3S)-7-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]spiro[3.5]nonan-3-amine (PubChem CID 156602633) has the molecular formula C18H24F3N and a molecular weight of 311.39 g/mol. Its IUPAC name is (3S)-7-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]spiro[3.5]nonan-3-amine.

Molecular Properties

Compound Name(3S)-7-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]spiro[3.5]nonan-3-amine
PubChem CID156602633
Molecular FormulaC18H24F3N
Molecular Weight311.39 g/mol
Exact Mass311.19
IUPAC Name(3S)-7-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]spiro[3.5]nonan-3-amine
SMILESCC1CCC2(CC1)CC[C@@H]2NCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H24F3N/c1-13-5-8-17(9-6-13)10-7-16(17)22-12-14-3-2-4-15(11-14)18(19,20)21/h2-4,11,13,16,22H,5-10,12H2,1H3/t13?,16-,17?/m0/s1
InChIKeyCXRRPQKXECDVQQ-PWZRNIHTSA-N
XLogP5.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.39
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,2-dimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]cyclopentan-1-amine
CID 79865086
N-[[3-(trifluoromethyl)phenyl]methyl]cyclopropanamine;hydrochloride
CID 166520360
2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]cyclohexan-1-amine
CID 43080931
1-N,2-N-bis[[3-(trifluoromethyl)phenyl]methyl]cyclohexane-1,2-diamine;dihydrochloride
CID 51040821
1-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine
CID 61462002
2-ethyl-N-[[3-(trifluoromethyl)phenyl]methyl]cyclohexan-1-amine
CID 43434076
1-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]cyclobutan-1-amine
CID 115765833
N-[[3-(trifluoromethyl)phenyl]methyl]oxolan-3-amine
CID 63331563
2-methylsulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]cyclopentan-1-amine
CID 103701066
1-(trifluoromethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]cyclopropan-1-amine
CID 106209964
4-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]oxan-4-amine
CID 115758041
N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine;molecular hydrogen
CID 145483676

Frequently Asked Questions

What is the IUPAC name of (3S)-7-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]spiro[3.5]nonan-3-amine?
The IUPAC name of (3S)-7-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]spiro[3.5]nonan-3-amine (CID 156602633) is (3S)-7-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]spiro[3.5]nonan-3-amine.
What is the SMILES notation for (3S)-7-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]spiro[3.5]nonan-3-amine?
The canonical SMILES for (3S)-7-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]spiro[3.5]nonan-3-amine is CC1CCC2(CC1)CC[C@@H]2NCc1cccc(C(F)(F)F)c1.
What is the InChIKey of (3S)-7-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]spiro[3.5]nonan-3-amine?
The InChIKey is CXRRPQKXECDVQQ-PWZRNIHTSA-N. The full InChI is InChI=1S/C18H24F3N/c1-13-5-8-17(9-6-13)10-7-16(17)22-12-14-3-2-4-15(11-14)18(19,20)21/h2-4,11,13,16,22H,5-10,12H2,1H3/t13?,16-,17?/m0/s1.
What are the key properties of (3S)-7-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]spiro[3.5]nonan-3-amine?
(3S)-7-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]spiro[3.5]nonan-3-amine has a molecular weight of 311.39 g/mol, XLogP of 5.15, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-7-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]spiro[3.5]nonan-3-amine is sourced from PubChem (CID 156602633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).