N,N-dimethyl-4-[6-[(4-phenylphenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]butan-1-amine

C29H35NO — CID 18361489

IUPACN,N-dimethyl-4-[6-[(4-phenylphenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]butan-1-amine
SMILESCN(C)CCCCC1CCc2cc(OCc3ccc(-c4ccccc4)cc3)ccc2C1
InChIInChI=1S/C29H35NO/c1-30(2)19-7-6-8-23-11-16-28-21-29(18-17-27(28)20-23)31-22-24-12-14-26(15-13-24)25-9-4-3-5-10-25/h3-5,9-10,12-15,17-18,21,23H,6-8,11,16,19-20,22H2,1-2H3
InChIKeyQCXYPGHTLYEKRS-UHFFFAOYSA-N
MW413.61 g/mol
LogP6.77
Rot. Bonds9

About N,N-dimethyl-4-[6-[(4-phenylphenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]butan-1-amine

N,N-dimethyl-4-[6-[(4-phenylphenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]butan-1-amine (PubChem CID 18361489) has the molecular formula C29H35NO and a molecular weight of 413.61 g/mol. Its IUPAC name is N,N-dimethyl-4-[6-[(4-phenylphenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]butan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-4-[6-[(4-phenylphenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]butan-1-amine
PubChem CID18361489
Molecular FormulaC29H35NO
Molecular Weight413.61 g/mol
Exact Mass413.27
IUPAC NameN,N-dimethyl-4-[6-[(4-phenylphenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]butan-1-amine
SMILESCN(C)CCCCC1CCc2cc(OCc3ccc(-c4ccccc4)cc3)ccc2C1
InChIInChI=1S/C29H35NO/c1-30(2)19-7-6-8-23-11-16-28-21-29(18-17-27(28)20-23)31-22-24-12-14-26(15-13-24)25-9-4-3-5-10-25/h3-5,9-10,12-15,17-18,21,23H,6-8,11,16,19-20,22H2,1-2H3
InChIKeyQCXYPGHTLYEKRS-UHFFFAOYSA-N
XLogP6.77
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.61
LogP ≤ 56.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[6-[(4-phenylphenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]butan-1-amine?
The IUPAC name of N,N-dimethyl-4-[6-[(4-phenylphenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]butan-1-amine (CID 18361489) is N,N-dimethyl-4-[6-[(4-phenylphenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]butan-1-amine.
What is the SMILES notation for N,N-dimethyl-4-[6-[(4-phenylphenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]butan-1-amine?
The canonical SMILES for N,N-dimethyl-4-[6-[(4-phenylphenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]butan-1-amine is CN(C)CCCCC1CCc2cc(OCc3ccc(-c4ccccc4)cc3)ccc2C1.
What is the InChIKey of N,N-dimethyl-4-[6-[(4-phenylphenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]butan-1-amine?
The InChIKey is QCXYPGHTLYEKRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35NO/c1-30(2)19-7-6-8-23-11-16-28-21-29(18-17-27(28)20-23)31-22-24-12-14-26(15-13-24)25-9-4-3-5-10-25/h3-5,9-10,12-15,17-18,21,23H,6-8,11,16,19-20,22H2,1-2H3.
What are the key properties of N,N-dimethyl-4-[6-[(4-phenylphenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]butan-1-amine?
N,N-dimethyl-4-[6-[(4-phenylphenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]butan-1-amine has a molecular weight of 413.61 g/mol, XLogP of 6.77, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[6-[(4-phenylphenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]butan-1-amine is sourced from PubChem (CID 18361489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).