(1S)-1-phenyl-N-[(2-propoxynaphthalen-1-yl)methyl]ethanamine

C22H25NO — CID 29225446

IUPAC(1S)-1-phenyl-N-[(2-propoxynaphthalen-1-yl)methyl]ethanamine
SMILESCCCOc1ccc2ccccc2c1CN[C@@H](C)c1ccccc1
InChIInChI=1S/C22H25NO/c1-3-15-24-22-14-13-19-11-7-8-12-20(19)21(22)16-23-17(2)18-9-5-4-6-10-18/h4-14,17,23H,3,15-16H2,1-2H3/t17-/m0/s1
InChIKeyBMIMGFKUUTXHRY-KRWDZBQOSA-N
MW319.45 g/mol
LogP5.48
Rot. Bonds7

About (1S)-1-phenyl-N-[(2-propoxynaphthalen-1-yl)methyl]ethanamine

(1S)-1-phenyl-N-[(2-propoxynaphthalen-1-yl)methyl]ethanamine (PubChem CID 29225446) has the molecular formula C22H25NO and a molecular weight of 319.45 g/mol. Its IUPAC name is (1S)-1-phenyl-N-[(2-propoxynaphthalen-1-yl)methyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-phenyl-N-[(2-propoxynaphthalen-1-yl)methyl]ethanamine
PubChem CID29225446
Molecular FormulaC22H25NO
Molecular Weight319.45 g/mol
Exact Mass319.19
IUPAC Name(1S)-1-phenyl-N-[(2-propoxynaphthalen-1-yl)methyl]ethanamine
SMILESCCCOc1ccc2ccccc2c1CN[C@@H](C)c1ccccc1
InChIInChI=1S/C22H25NO/c1-3-15-24-22-14-13-19-11-7-8-12-20(19)21(22)16-23-17(2)18-9-5-4-6-10-18/h4-14,17,23H,3,15-16H2,1-2H3/t17-/m0/s1
InChIKeyBMIMGFKUUTXHRY-KRWDZBQOSA-N
XLogP5.48
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.45
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-phenyl-N-[(2-prop-2-enoxynaphthalen-1-yl)methyl]ethanamine
CID 54847639
1-phenyl-N-[(2-phenylmethoxynaphthalen-1-yl)methyl]ethanamine;hydrochloride
CID 17289596
N-[(2-butoxynaphthalen-1-yl)methyl]-1-phenylpropan-1-amine
CID 54848983
N-[[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methyl]-1-phenylethanamine
CID 17054825
(1S)-N-[[2-[(2,6-dichlorophenyl)methoxy]naphthalen-1-yl]methyl]-1-phenylethanamine
CID 51991944
N-[(2-hexoxynaphthalen-1-yl)methyl]propan-2-amine
CID 54849913
N-[(2-heptoxynaphthalen-1-yl)methyl]propan-2-amine
CID 54849942
1-ethyl-2-propoxynaphthalene
CID 129259410
N-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methyl]-1-phenylethanamine
CID 4715514
(1S)-N-(2-naphthalen-1-yloxyethyl)-1-phenylethanamine
CID 2183529
N-[(2-phenylmethoxynaphthalen-1-yl)methyl]propan-2-amine;hydrochloride
CID 17155735
N-[(2-butoxynaphthalen-1-yl)methyl]-1-phenylmethanamine
CID 54804070

Frequently Asked Questions

What is the IUPAC name of (1S)-1-phenyl-N-[(2-propoxynaphthalen-1-yl)methyl]ethanamine?
The IUPAC name of (1S)-1-phenyl-N-[(2-propoxynaphthalen-1-yl)methyl]ethanamine (CID 29225446) is (1S)-1-phenyl-N-[(2-propoxynaphthalen-1-yl)methyl]ethanamine.
What is the SMILES notation for (1S)-1-phenyl-N-[(2-propoxynaphthalen-1-yl)methyl]ethanamine?
The canonical SMILES for (1S)-1-phenyl-N-[(2-propoxynaphthalen-1-yl)methyl]ethanamine is CCCOc1ccc2ccccc2c1CN[C@@H](C)c1ccccc1.
What is the InChIKey of (1S)-1-phenyl-N-[(2-propoxynaphthalen-1-yl)methyl]ethanamine?
The InChIKey is BMIMGFKUUTXHRY-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H25NO/c1-3-15-24-22-14-13-19-11-7-8-12-20(19)21(22)16-23-17(2)18-9-5-4-6-10-18/h4-14,17,23H,3,15-16H2,1-2H3/t17-/m0/s1.
What are the key properties of (1S)-1-phenyl-N-[(2-propoxynaphthalen-1-yl)methyl]ethanamine?
(1S)-1-phenyl-N-[(2-propoxynaphthalen-1-yl)methyl]ethanamine has a molecular weight of 319.45 g/mol, XLogP of 5.48, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-phenyl-N-[(2-propoxynaphthalen-1-yl)methyl]ethanamine is sourced from PubChem (CID 29225446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).