N-[(3,5-dichlorophenyl)methyl]-N-[[(3R)-pyrrolidin-3-yl]methyl]propan-2-amine

C15H22Cl2N2 — CID 11680997

IUPACN-[(3,5-dichlorophenyl)methyl]-N-[[(3R)-pyrrolidin-3-yl]methyl]propan-2-amine
SMILESCC(C)N(Cc1cc(Cl)cc(Cl)c1)C[C@@H]1CCNC1
InChIInChI=1S/C15H22Cl2N2/c1-11(2)19(9-12-3-4-18-8-12)10-13-5-14(16)7-15(17)6-13/h5-7,11-12,18H,3-4,8-10H2,1-2H3/t12-/m1/s1
InChIKeyBIAJZEKDPKCRFL-GFCCVEGCSA-N
MW301.26 g/mol
LogP3.81
Rot. Bonds5

About N-[(3,5-dichlorophenyl)methyl]-N-[[(3R)-pyrrolidin-3-yl]methyl]propan-2-amine

N-[(3,5-dichlorophenyl)methyl]-N-[[(3R)-pyrrolidin-3-yl]methyl]propan-2-amine (PubChem CID 11680997) has the molecular formula C15H22Cl2N2 and a molecular weight of 301.26 g/mol. Its IUPAC name is N-[(3,5-dichlorophenyl)methyl]-N-[[(3R)-pyrrolidin-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(3,5-dichlorophenyl)methyl]-N-[[(3R)-pyrrolidin-3-yl]methyl]propan-2-amine
PubChem CID11680997
Molecular FormulaC15H22Cl2N2
Molecular Weight301.26 g/mol
Exact Mass300.12
IUPAC NameN-[(3,5-dichlorophenyl)methyl]-N-[[(3R)-pyrrolidin-3-yl]methyl]propan-2-amine
SMILESCC(C)N(Cc1cc(Cl)cc(Cl)c1)C[C@@H]1CCNC1
InChIInChI=1S/C15H22Cl2N2/c1-11(2)19(9-12-3-4-18-8-12)10-13-5-14(16)7-15(17)6-13/h5-7,11-12,18H,3-4,8-10H2,1-2H3/t12-/m1/s1
InChIKeyBIAJZEKDPKCRFL-GFCCVEGCSA-N
XLogP3.81
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.26
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-N-[[(3R)-pyrrolidin-3-yl]methyl]propan-2-amine
CID 94408590
2,6-dimethyl-4-[[piperidin-3-ylmethyl(propan-2-yl)amino]methyl]phenol
CID 106624038
N-(2,3-dihydro-1H-inden-5-ylmethyl)-N-(piperidin-3-ylmethyl)propan-2-amine
CID 106637480
N-[(3,4-dimethylphenyl)methyl]-N-(piperidin-4-ylmethyl)propan-2-amine
CID 79715630
N-[(3-chloro-4-methoxyphenyl)methyl]-N-(piperidin-4-ylmethyl)propan-2-amine
CID 79698882
N-(pyrrolidin-3-ylmethyl)-N-(2,2,2-trifluoroethyl)propan-2-amine
CID 62370891
N-[(3-bromo-4-methylphenyl)methyl]-N-(piperidin-3-ylmethyl)propan-2-amine
CID 106624214
N-[(3-bromo-4-fluorophenyl)methyl]-N-(piperidin-4-ylmethyl)propan-2-amine
CID 79715714
N-[(4-methoxy-3-methylphenyl)methyl]-N-(piperidin-3-ylmethyl)propan-2-amine
CID 106624044
N-[(4-bromothiophen-2-yl)methyl]-N-(piperidin-3-ylmethyl)propan-2-amine
CID 106624142
N-[(4-chlorophenyl)methyl]-N-(pyrrolidin-3-ylmethyl)ethanamine
CID 23137005
N-[[4-(methoxymethyl)phenyl]methyl]-N-(piperidin-4-ylmethyl)propan-2-amine
CID 79698883

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dichlorophenyl)methyl]-N-[[(3R)-pyrrolidin-3-yl]methyl]propan-2-amine?
The IUPAC name of N-[(3,5-dichlorophenyl)methyl]-N-[[(3R)-pyrrolidin-3-yl]methyl]propan-2-amine (CID 11680997) is N-[(3,5-dichlorophenyl)methyl]-N-[[(3R)-pyrrolidin-3-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[(3,5-dichlorophenyl)methyl]-N-[[(3R)-pyrrolidin-3-yl]methyl]propan-2-amine?
The canonical SMILES for N-[(3,5-dichlorophenyl)methyl]-N-[[(3R)-pyrrolidin-3-yl]methyl]propan-2-amine is CC(C)N(Cc1cc(Cl)cc(Cl)c1)C[C@@H]1CCNC1.
What is the InChIKey of N-[(3,5-dichlorophenyl)methyl]-N-[[(3R)-pyrrolidin-3-yl]methyl]propan-2-amine?
The InChIKey is BIAJZEKDPKCRFL-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H22Cl2N2/c1-11(2)19(9-12-3-4-18-8-12)10-13-5-14(16)7-15(17)6-13/h5-7,11-12,18H,3-4,8-10H2,1-2H3/t12-/m1/s1.
What are the key properties of N-[(3,5-dichlorophenyl)methyl]-N-[[(3R)-pyrrolidin-3-yl]methyl]propan-2-amine?
N-[(3,5-dichlorophenyl)methyl]-N-[[(3R)-pyrrolidin-3-yl]methyl]propan-2-amine has a molecular weight of 301.26 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dichlorophenyl)methyl]-N-[[(3R)-pyrrolidin-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 11680997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).