(1S)-N-[(4-butoxyphenyl)methyl]-1-pyridin-4-ylethanamine

C18H24N2O — CID 28644901

IUPAC(1S)-N-[(4-butoxyphenyl)methyl]-1-pyridin-4-ylethanamine
SMILESCCCCOc1ccc(CN[C@@H](C)c2ccncc2)cc1
InChIInChI=1S/C18H24N2O/c1-3-4-13-21-18-7-5-16(6-8-18)14-20-15(2)17-9-11-19-12-10-17/h5-12,15,20H,3-4,13-14H2,1-2H3/t15-/m0/s1
InChIKeyZQUVAGAMEVMNJJ-HNNXBMFYSA-N
MW284.40 g/mol
LogP4.11
Rot. Bonds8

About (1S)-N-[(4-butoxyphenyl)methyl]-1-pyridin-4-ylethanamine

(1S)-N-[(4-butoxyphenyl)methyl]-1-pyridin-4-ylethanamine (PubChem CID 28644901) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is (1S)-N-[(4-butoxyphenyl)methyl]-1-pyridin-4-ylethanamine.

Molecular Properties

Compound Name(1S)-N-[(4-butoxyphenyl)methyl]-1-pyridin-4-ylethanamine
PubChem CID28644901
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name(1S)-N-[(4-butoxyphenyl)methyl]-1-pyridin-4-ylethanamine
SMILESCCCCOc1ccc(CN[C@@H](C)c2ccncc2)cc1
InChIInChI=1S/C18H24N2O/c1-3-4-13-21-18-7-5-16(6-8-18)14-20-15(2)17-9-11-19-12-10-17/h5-12,15,20H,3-4,13-14H2,1-2H3/t15-/m0/s1
InChIKeyZQUVAGAMEVMNJJ-HNNXBMFYSA-N
XLogP4.11
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-butylphenyl)-N-(pyridin-4-ylmethyl)ethanamine
CID 43204866
N-[(4-propoxyphenyl)methyl]-1-pyridin-3-ylethanamine
CID 43181726
2-[4-[(1-pyridin-4-ylethylamino)methyl]phenoxy]acetamide
CID 43181000
(1R)-1-(4-methylphenyl)-N-[(4-propoxyphenyl)methyl]ethanamine
CID 81347006
N-ethyl-1-[4-(3-pyridin-4-ylpropoxy)phenyl]ethanamine
CID 43285904
1-(4-pentoxyphenyl)-N-(pyridin-4-ylmethyl)methanamine
CID 28670478
N-[(4-pentoxyphenyl)methyl]propan-2-amine
CID 29288376
3-phenoxy-N-[(1R)-1-pyridin-4-ylethyl]propan-1-amine
CID 81409698
1-(4-propan-2-yloxyphenyl)-N-(pyridin-4-ylmethyl)ethanamine
CID 43204819
4-butoxy-N-[(1R)-1-pyridin-4-ylethyl]benzamide
CID 27232734
4-[[1-(4-propoxyphenyl)ethylamino]methyl]benzoic acid
CID 122030771
(2R)-2-N-[(4-butoxyphenyl)methyl]propane-1,2-diamine
CID 113498432

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[(4-butoxyphenyl)methyl]-1-pyridin-4-ylethanamine?
The IUPAC name of (1S)-N-[(4-butoxyphenyl)methyl]-1-pyridin-4-ylethanamine (CID 28644901) is (1S)-N-[(4-butoxyphenyl)methyl]-1-pyridin-4-ylethanamine.
What is the SMILES notation for (1S)-N-[(4-butoxyphenyl)methyl]-1-pyridin-4-ylethanamine?
The canonical SMILES for (1S)-N-[(4-butoxyphenyl)methyl]-1-pyridin-4-ylethanamine is CCCCOc1ccc(CN[C@@H](C)c2ccncc2)cc1.
What is the InChIKey of (1S)-N-[(4-butoxyphenyl)methyl]-1-pyridin-4-ylethanamine?
The InChIKey is ZQUVAGAMEVMNJJ-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-3-4-13-21-18-7-5-16(6-8-18)14-20-15(2)17-9-11-19-12-10-17/h5-12,15,20H,3-4,13-14H2,1-2H3/t15-/m0/s1.
What are the key properties of (1S)-N-[(4-butoxyphenyl)methyl]-1-pyridin-4-ylethanamine?
(1S)-N-[(4-butoxyphenyl)methyl]-1-pyridin-4-ylethanamine has a molecular weight of 284.40 g/mol, XLogP of 4.11, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[(4-butoxyphenyl)methyl]-1-pyridin-4-ylethanamine is sourced from PubChem (CID 28644901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).