(1S)-1-phenyl-N-[(1S)-1-(2,3,4-trimethoxyphenyl)ethyl]ethanamine

C19H25NO3 — CID 14247701

IUPAC(1S)-1-phenyl-N-[(1S)-1-(2,3,4-trimethoxyphenyl)ethyl]ethanamine
SMILESCOc1ccc([C@H](C)N[C@@H](C)c2ccccc2)c(OC)c1OC
InChIInChI=1S/C19H25NO3/c1-13(15-9-7-6-8-10-15)20-14(2)16-11-12-17(21-3)19(23-5)18(16)22-4/h6-14,20H,1-5H3/t13-,14-/m0/s1
InChIKeyQTFKNTCILLCZHA-KBPBESRZSA-N
MW315.41 g/mol
LogP4.12
Rot. Bonds7

About (1S)-1-phenyl-N-[(1S)-1-(2,3,4-trimethoxyphenyl)ethyl]ethanamine

(1S)-1-phenyl-N-[(1S)-1-(2,3,4-trimethoxyphenyl)ethyl]ethanamine (PubChem CID 14247701) has the molecular formula C19H25NO3 and a molecular weight of 315.41 g/mol. Its IUPAC name is (1S)-1-phenyl-N-[(1S)-1-(2,3,4-trimethoxyphenyl)ethyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-phenyl-N-[(1S)-1-(2,3,4-trimethoxyphenyl)ethyl]ethanamine
PubChem CID14247701
Molecular FormulaC19H25NO3
Molecular Weight315.41 g/mol
Exact Mass315.18
IUPAC Name(1S)-1-phenyl-N-[(1S)-1-(2,3,4-trimethoxyphenyl)ethyl]ethanamine
SMILESCOc1ccc([C@H](C)N[C@@H](C)c2ccccc2)c(OC)c1OC
InChIInChI=1S/C19H25NO3/c1-13(15-9-7-6-8-10-15)20-14(2)16-11-12-17(21-3)19(23-5)18(16)22-4/h6-14,20H,1-5H3/t13-,14-/m0/s1
InChIKeyQTFKNTCILLCZHA-KBPBESRZSA-N
XLogP4.12
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-N-[(1R)-1-(2-methoxyphenyl)ethyl]-1-phenylethanamine
CID 13234523
(1R)-N-[1-(2,4-dimethoxyphenyl)ethyl]-1-phenylethanamine
CID 81350448
(1S)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-1-phenylethanamine
CID 81350523
(1R)-1-(2-methoxyphenyl)-N-[(1R)-1-(2-methoxyphenyl)ethyl]ethanamine
CID 11346678
(1S)-N-(1-naphthalen-1-ylethyl)-1-phenylethanamine
CID 78956224
3-methoxy-2-[(1S)-1-[[(1S)-1-phenylethyl]amino]ethyl]phenol
CID 14643101
5-methoxy-2-[1-(1-phenylethylamino)ethyl]phenol
CID 43200586
5-methoxy-2-[1-[[(1S)-1-phenylethyl]amino]ethyl]phenol
CID 81350522
1-(1-bromoethyl)-2,3,4-trimethoxybenzene
CID 61096403
(1S)-1-(2-methoxyphenyl)-N-[(1R)-1-naphthalen-1-ylethyl]ethanamine
CID 101003205
(1S)-N-[(S)-(2-methoxynaphthalen-1-yl)-phenylmethyl]-1-phenylethanamine
CID 102334236
1,2-dimethoxy-3-(2-methoxyphenyl)-4-(1-phenylethyl)benzene
CID 91047255

Frequently Asked Questions

What is the IUPAC name of (1S)-1-phenyl-N-[(1S)-1-(2,3,4-trimethoxyphenyl)ethyl]ethanamine?
The IUPAC name of (1S)-1-phenyl-N-[(1S)-1-(2,3,4-trimethoxyphenyl)ethyl]ethanamine (CID 14247701) is (1S)-1-phenyl-N-[(1S)-1-(2,3,4-trimethoxyphenyl)ethyl]ethanamine.
What is the SMILES notation for (1S)-1-phenyl-N-[(1S)-1-(2,3,4-trimethoxyphenyl)ethyl]ethanamine?
The canonical SMILES for (1S)-1-phenyl-N-[(1S)-1-(2,3,4-trimethoxyphenyl)ethyl]ethanamine is COc1ccc([C@H](C)N[C@@H](C)c2ccccc2)c(OC)c1OC.
What is the InChIKey of (1S)-1-phenyl-N-[(1S)-1-(2,3,4-trimethoxyphenyl)ethyl]ethanamine?
The InChIKey is QTFKNTCILLCZHA-KBPBESRZSA-N. The full InChI is InChI=1S/C19H25NO3/c1-13(15-9-7-6-8-10-15)20-14(2)16-11-12-17(21-3)19(23-5)18(16)22-4/h6-14,20H,1-5H3/t13-,14-/m0/s1.
What are the key properties of (1S)-1-phenyl-N-[(1S)-1-(2,3,4-trimethoxyphenyl)ethyl]ethanamine?
(1S)-1-phenyl-N-[(1S)-1-(2,3,4-trimethoxyphenyl)ethyl]ethanamine has a molecular weight of 315.41 g/mol, XLogP of 4.12, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-phenyl-N-[(1S)-1-(2,3,4-trimethoxyphenyl)ethyl]ethanamine is sourced from PubChem (CID 14247701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).