(4-butoxyphenyl)-(4-methylphenyl)methanamine

C18H23NO — CID 105092574

IUPAC(4-butoxyphenyl)-(4-methylphenyl)methanamine
SMILESCCCCOc1ccc(C(N)c2ccc(C)cc2)cc1
InChIInChI=1S/C18H23NO/c1-3-4-13-20-17-11-9-16(10-12-17)18(19)15-7-5-14(2)6-8-15/h5-12,18H,3-4,13,19H2,1-2H3
InChIKeyDERXKTTUGJMLFM-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.22
Rot. Bonds6

About (4-butoxyphenyl)-(4-methylphenyl)methanamine

(4-butoxyphenyl)-(4-methylphenyl)methanamine (PubChem CID 105092574) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is (4-butoxyphenyl)-(4-methylphenyl)methanamine.

Molecular Properties

Compound Name(4-butoxyphenyl)-(4-methylphenyl)methanamine
PubChem CID105092574
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name(4-butoxyphenyl)-(4-methylphenyl)methanamine
SMILESCCCCOc1ccc(C(N)c2ccc(C)cc2)cc1
InChIInChI=1S/C18H23NO/c1-3-4-13-20-17-11-9-16(10-12-17)18(19)15-7-5-14(2)6-8-15/h5-12,18H,3-4,13,19H2,1-2H3
InChIKeyDERXKTTUGJMLFM-UHFFFAOYSA-N
XLogP4.22
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.22
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-butoxyphenyl)-(4-chlorophenyl)methanamine
CID 105076576
(3,5-dimethylphenyl)-(4-propoxyphenyl)methanamine
CID 115853243
(4-butoxyphenyl)-(2-methylphenyl)methanamine
CID 105094897
(4-methoxyphenyl)-(4-propoxyphenyl)methanamine
CID 62796455
(4-butoxyphenyl)-(5-methylthiophen-2-yl)methanamine
CID 105162171
ethyl 2-(4-heptoxyphenyl)-2-(4-methylphenyl)acetate
CID 54086655
1-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]-4-methylbenzene
CID 104567700
1-(2-butoxyethoxy)-4-methylbenzene
CID 64765824
6-(4-methylphenoxy)hexan-3-amine
CID 106800758
3-(4-butoxyphenyl)pentanedinitrile
CID 20546125
1-(4-propoxyphenyl)pentan-1-amine
CID 79016312
(1S)-1-(4-octoxyphenyl)propan-1-amine
CID 78944099

Frequently Asked Questions

What is the IUPAC name of (4-butoxyphenyl)-(4-methylphenyl)methanamine?
The IUPAC name of (4-butoxyphenyl)-(4-methylphenyl)methanamine (CID 105092574) is (4-butoxyphenyl)-(4-methylphenyl)methanamine.
What is the SMILES notation for (4-butoxyphenyl)-(4-methylphenyl)methanamine?
The canonical SMILES for (4-butoxyphenyl)-(4-methylphenyl)methanamine is CCCCOc1ccc(C(N)c2ccc(C)cc2)cc1.
What is the InChIKey of (4-butoxyphenyl)-(4-methylphenyl)methanamine?
The InChIKey is DERXKTTUGJMLFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-3-4-13-20-17-11-9-16(10-12-17)18(19)15-7-5-14(2)6-8-15/h5-12,18H,3-4,13,19H2,1-2H3.
What are the key properties of (4-butoxyphenyl)-(4-methylphenyl)methanamine?
(4-butoxyphenyl)-(4-methylphenyl)methanamine has a molecular weight of 269.39 g/mol, XLogP of 4.22, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-butoxyphenyl)-(4-methylphenyl)methanamine is sourced from PubChem (CID 105092574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).