[4-(4-butoxyphenyl)phenyl]methanamine

C17H21NO — CID 43366436

IUPAC[4-(4-butoxyphenyl)phenyl]methanamine
SMILESCCCCOc1ccc(-c2ccc(CN)cc2)cc1
InChIInChI=1S/C17H21NO/c1-2-3-12-19-17-10-8-16(9-11-17)15-6-4-14(13-18)5-7-15/h4-11H,2-3,12-13,18H2,1H3
InChIKeyYPDMPINEZFAHRC-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.99
Rot. Bonds6

About [4-(4-butoxyphenyl)phenyl]methanamine

[4-(4-butoxyphenyl)phenyl]methanamine (PubChem CID 43366436) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is [4-(4-butoxyphenyl)phenyl]methanamine.

Molecular Properties

Compound Name[4-(4-butoxyphenyl)phenyl]methanamine
PubChem CID43366436
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name[4-(4-butoxyphenyl)phenyl]methanamine
SMILESCCCCOc1ccc(-c2ccc(CN)cc2)cc1
InChIInChI=1S/C17H21NO/c1-2-3-12-19-17-10-8-16(9-11-17)15-6-4-14(13-18)5-7-15/h4-11H,2-3,12-13,18H2,1H3
InChIKeyYPDMPINEZFAHRC-UHFFFAOYSA-N
XLogP3.99
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4-decoxyphenyl)methanamine
CID 55187501
[4-[2-(2-butoxyethoxy)ethoxy]phenyl]methanamine
CID 43254346
[4-(3-pentoxypropoxy)phenyl]methanamine
CID 43275017
[4-(2-hexoxyethoxy)phenyl]methanamine
CID 43254396
[4-(4-propoxyphenoxy)phenyl]methanamine
CID 28971093
1-butoxy-4-[4-(chloromethyl)phenyl]benzene
CID 71424313
[4-[4-(3-methylbutoxy)phenyl]phenyl]methanamine
CID 43174546
1-heptoxy-4-(4-heptoxyphenyl)benzene
CID 53405189
1-hexadecoxy-4-(4-hexadecoxyphenyl)benzene
CID 100970451
1-butoxy-4-[4-(4-fluorobutyl)phenyl]benzene
CID 19789101
[4-(3-propylsulfanylpropoxy)phenyl]methanamine
CID 43530070
N-[2-[4-(aminomethyl)phenoxy]ethyl]-N-hexadecylhexadecan-1-amine
CID 12760487

Frequently Asked Questions

What is the IUPAC name of [4-(4-butoxyphenyl)phenyl]methanamine?
The IUPAC name of [4-(4-butoxyphenyl)phenyl]methanamine (CID 43366436) is [4-(4-butoxyphenyl)phenyl]methanamine.
What is the SMILES notation for [4-(4-butoxyphenyl)phenyl]methanamine?
The canonical SMILES for [4-(4-butoxyphenyl)phenyl]methanamine is CCCCOc1ccc(-c2ccc(CN)cc2)cc1.
What is the InChIKey of [4-(4-butoxyphenyl)phenyl]methanamine?
The InChIKey is YPDMPINEZFAHRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-2-3-12-19-17-10-8-16(9-11-17)15-6-4-14(13-18)5-7-15/h4-11H,2-3,12-13,18H2,1H3.
What are the key properties of [4-(4-butoxyphenyl)phenyl]methanamine?
[4-(4-butoxyphenyl)phenyl]methanamine has a molecular weight of 255.36 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-butoxyphenyl)phenyl]methanamine is sourced from PubChem (CID 43366436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).