(4S)-N-[(1R)-2-methoxy-1-phenylethyl]non-8-en-4-amine

C18H29NO — CID 10754895

IUPAC(4S)-N-[(1R)-2-methoxy-1-phenylethyl]non-8-en-4-amine
SMILESC=CCCC[C@H](CCC)N[C@@H](COC)c1ccccc1
InChIInChI=1S/C18H29NO/c1-4-6-8-14-17(11-5-2)19-18(15-20-3)16-12-9-7-10-13-16/h4,7,9-10,12-13,17-19H,1,5-6,8,11,14-15H2,2-3H3/t17-,18-/m0/s1
InChIKeyYQXGXPWHVWMPHP-ROUUACIJSA-N
MW275.44 g/mol
LogP4.49
Rot. Bonds11

About (4S)-N-[(1R)-2-methoxy-1-phenylethyl]non-8-en-4-amine

(4S)-N-[(1R)-2-methoxy-1-phenylethyl]non-8-en-4-amine (PubChem CID 10754895) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is (4S)-N-[(1R)-2-methoxy-1-phenylethyl]non-8-en-4-amine.

Molecular Properties

Compound Name(4S)-N-[(1R)-2-methoxy-1-phenylethyl]non-8-en-4-amine
PubChem CID10754895
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name(4S)-N-[(1R)-2-methoxy-1-phenylethyl]non-8-en-4-amine
SMILESC=CCCC[C@H](CCC)N[C@@H](COC)c1ccccc1
InChIInChI=1S/C18H29NO/c1-4-6-8-14-17(11-5-2)19-18(15-20-3)16-12-9-7-10-13-16/h4,7,9-10,12-13,17-19H,1,5-6,8,11,14-15H2,2-3H3/t17-,18-/m0/s1
InChIKeyYQXGXPWHVWMPHP-ROUUACIJSA-N
XLogP4.49
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

2-((1-Phenylethyl)amino)ethan-1-ol
CID 14909
3-Methoxymethyl-1,2,3,4-tetrahydro-isoquinoline
CID 10797392
(2R)-2-(benzylamino)-3-phenylpropan-1-ol
CID 10900780
Benzyl(2-methoxyethyl)amine
CID 2396989
(R)-2-(benzylamino)butan-1-ol
CID 927306
(+/-)-threo-Ritalinol methyl ether
CID 16719668
(2R)-3-phenyl-2-(tetradecylamino)propan-1-ol;hydrochloride
CID 49797463
N-(2-Methoxyethyl)-1-phenylcyclohexanamine
CID 46839344
alpha-[[(1-Methylethyl)amino]methyl]benzeneethanol
CID 29545
1-Methoxy-3-phenylpropan-2-amine
CID 5106602
2-(Benzylamino)-2-phenylethan-1-ol
CID 234875
(2S)-2-(benzylamino)butan-1-ol
CID 927305

Frequently Asked Questions

What is the IUPAC name of (4S)-N-[(1R)-2-methoxy-1-phenylethyl]non-8-en-4-amine?
The IUPAC name of (4S)-N-[(1R)-2-methoxy-1-phenylethyl]non-8-en-4-amine (CID 10754895) is (4S)-N-[(1R)-2-methoxy-1-phenylethyl]non-8-en-4-amine.
What is the SMILES notation for (4S)-N-[(1R)-2-methoxy-1-phenylethyl]non-8-en-4-amine?
The canonical SMILES for (4S)-N-[(1R)-2-methoxy-1-phenylethyl]non-8-en-4-amine is C=CCCC[C@H](CCC)N[C@@H](COC)c1ccccc1.
What is the InChIKey of (4S)-N-[(1R)-2-methoxy-1-phenylethyl]non-8-en-4-amine?
The InChIKey is YQXGXPWHVWMPHP-ROUUACIJSA-N. The full InChI is InChI=1S/C18H29NO/c1-4-6-8-14-17(11-5-2)19-18(15-20-3)16-12-9-7-10-13-16/h4,7,9-10,12-13,17-19H,1,5-6,8,11,14-15H2,2-3H3/t17-,18-/m0/s1.
What are the key properties of (4S)-N-[(1R)-2-methoxy-1-phenylethyl]non-8-en-4-amine?
(4S)-N-[(1R)-2-methoxy-1-phenylethyl]non-8-en-4-amine has a molecular weight of 275.44 g/mol, XLogP of 4.49, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-[(1R)-2-methoxy-1-phenylethyl]non-8-en-4-amine is sourced from PubChem (CID 10754895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).