N-[1-[4-(4-methoxyphenyl)phenyl]propan-2-yl]-2-methylpropan-1-amine

C20H27NO — CID 82262403

IUPACN-[1-[4-(4-methoxyphenyl)phenyl]propan-2-yl]-2-methylpropan-1-amine
SMILESCOc1ccc(-c2ccc(CC(C)NCC(C)C)cc2)cc1
InChIInChI=1S/C20H27NO/c1-15(2)14-21-16(3)13-17-5-7-18(8-6-17)19-9-11-20(22-4)12-10-19/h5-12,15-16,21H,13-14H2,1-4H3
InChIKeyNBODNMKDIACIFR-UHFFFAOYSA-N
MW297.44 g/mol
LogP4.54
Rot. Bonds7

About N-[1-[4-(4-methoxyphenyl)phenyl]propan-2-yl]-2-methylpropan-1-amine

N-[1-[4-(4-methoxyphenyl)phenyl]propan-2-yl]-2-methylpropan-1-amine (PubChem CID 82262403) has the molecular formula C20H27NO and a molecular weight of 297.44 g/mol. Its IUPAC name is N-[1-[4-(4-methoxyphenyl)phenyl]propan-2-yl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[1-[4-(4-methoxyphenyl)phenyl]propan-2-yl]-2-methylpropan-1-amine
PubChem CID82262403
Molecular FormulaC20H27NO
Molecular Weight297.44 g/mol
Exact Mass297.21
IUPAC NameN-[1-[4-(4-methoxyphenyl)phenyl]propan-2-yl]-2-methylpropan-1-amine
SMILESCOc1ccc(-c2ccc(CC(C)NCC(C)C)cc2)cc1
InChIInChI=1S/C20H27NO/c1-15(2)14-21-16(3)13-17-5-7-18(8-6-17)19-9-11-20(22-4)12-10-19/h5-12,15-16,21H,13-14H2,1-4H3
InChIKeyNBODNMKDIACIFR-UHFFFAOYSA-N
XLogP4.54
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-methoxyphenyl)-N-(2-methoxypropyl)propan-2-amine
CID 102696593
(2S)-1-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]propan-2-amine
CID 6962702
(2R)-1-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]propan-2-amine
CID 6962704
N-[1-(4-methoxyphenyl)propan-2-yl]-4-methylpentan-1-amine
CID 54914161
N-[1-[4-(4-methoxyphenyl)phenyl]propan-2-yl]cyclopropanamine
CID 82262623
1-(4-methoxyphenyl)-N-(1,1,2,2,2-pentadeuterioethyl)propan-2-amine
CID 71316455
[4-[[1-(4-methoxyphenyl)propan-2-ylamino]methyl]phenyl]methanol
CID 107230230
1-[1-(4-methoxyphenyl)propan-2-ylamino]-3-methylidenepent-4-en-2-ol
CID 123192488
3-[[1-(4-methoxyphenyl)propan-2-ylamino]methyl]hexan-1-ol
CID 103787341
1-(4-methoxyphenyl)propan-2-ylhydrazine;dihydrochloride
CID 70058414
4-methoxy-N-[1-(4-methoxyphenyl)propan-2-yl]aniline
CID 43508755
N-[1-(2,5-dimethoxyphenyl)propan-2-yl]-2-methylpropan-1-amine
CID 82262391

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(4-methoxyphenyl)phenyl]propan-2-yl]-2-methylpropan-1-amine?
The IUPAC name of N-[1-[4-(4-methoxyphenyl)phenyl]propan-2-yl]-2-methylpropan-1-amine (CID 82262403) is N-[1-[4-(4-methoxyphenyl)phenyl]propan-2-yl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[1-[4-(4-methoxyphenyl)phenyl]propan-2-yl]-2-methylpropan-1-amine?
The canonical SMILES for N-[1-[4-(4-methoxyphenyl)phenyl]propan-2-yl]-2-methylpropan-1-amine is COc1ccc(-c2ccc(CC(C)NCC(C)C)cc2)cc1.
What is the InChIKey of N-[1-[4-(4-methoxyphenyl)phenyl]propan-2-yl]-2-methylpropan-1-amine?
The InChIKey is NBODNMKDIACIFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO/c1-15(2)14-21-16(3)13-17-5-7-18(8-6-17)19-9-11-20(22-4)12-10-19/h5-12,15-16,21H,13-14H2,1-4H3.
What are the key properties of N-[1-[4-(4-methoxyphenyl)phenyl]propan-2-yl]-2-methylpropan-1-amine?
N-[1-[4-(4-methoxyphenyl)phenyl]propan-2-yl]-2-methylpropan-1-amine has a molecular weight of 297.44 g/mol, XLogP of 4.54, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(4-methoxyphenyl)phenyl]propan-2-yl]-2-methylpropan-1-amine is sourced from PubChem (CID 82262403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).